HRID1570488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6809

Phthalimide

C8H5NO2

HCID8857

Ethyl acetate

C4H8O2

反应SMILES：NS(=O)(=O)c1cc2c(cc1Cl)C(=O)N(C1CCN(Cc3cccc(C(F)(F)F)c3)CC1)C2=O

HCID23312441

未命名化合物

PRODUCTS

产物

HCID13370619

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4e00cdde66cd4e05baee62bfac0ad8e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[CH3:45][C:46](=[O:47])[OH:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[Cl:12][c:13]1[c:14]([S:41](=[O:42])(=[O:43])[NH2:44])[cH:15][c:16]2[c:20]([cH:21]1)[C:19](=[O:22])[N:18]([CH:23]1[CH2:24][CH2:25][N:26]([CH2:29][c:30]3[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]3)[CH2:27][CH2:28]1)[C:17]2=[O:40].[O:1]=[C:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[C:9](=[O:10])[NH:11]1>>[Cl:12][c:13]1[c:14]([S:41](=[O:42])(=[O:43])[NH2:44])[cH:15][c:16]2[c:20]([cH:21]1)[CH:19]([OH:22])[N:18]([CH:23]1[CH2:24][CH2:25][N:26]([CH2:29][c:30]3[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]3)[CH2:27][CH2:28]1)[C:17]2=[O:40]